CID 6482261

1,2-ethanediamine, n-(3,3-diphenylpropyl)-n'-(1,7,7-trimethylbicyclo[2.2.1]hept-2-yl)-

Structural Information

Molecular Formula
C27H38N2
SMILES
CC1(C2CCC1(C(C2)NCCNCCC(C3=CC=CC=C3)C4=CC=CC=C4)C)C
InChI
InChI=1S/C27H38N2/c1-26(2)23-14-16-27(26,3)25(20-23)29-19-18-28-17-15-24(21-10-6-4-7-11-21)22-12-8-5-9-13-22/h4-13,23-25,28-29H,14-20H2,1-3H3
InChIKey
LYTRMHONFXZYRS-UHFFFAOYSA-N
Compound name
N-(3,3-diphenylpropyl)-N'-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)ethane-1,2-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

390.3035 Da
Monoisotopic Mass

6.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 391.31078 199.4
[M+Na]+ 413.29272 202.1
[M-H]- 389.29622 207.2
[M+NH4]+ 408.33732 218.8
[M+K]+ 429.26666 195.4
[M+H-H2O]+ 373.30076 191.0
[M+HCOO]- 435.30170 218.6
[M+CH3COO]- 449.31735 207.8
[M+Na-2H]- 411.27817 199.0
[M]+ 390.30295 197.8
[M]- 390.30405 197.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.